1,1,1-trifluoro-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol

C7H10F3N3O2 — CID 106399639

IUPAC1,1,1-trifluoro-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol
SMILESOC(CNCCc1ncno1)C(F)(F)F
InChIInChI=1S/C7H10F3N3O2/c8-7(9,10)5(14)3-11-2-1-6-12-4-13-15-6/h4-5,11,14H,1-3H2
InChIKeyVQHYTFONFNGVBK-UHFFFAOYSA-N
MW225.17 g/mol
LogP0.12
Rot. Bonds5

About 1,1,1-trifluoro-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol

1,1,1-trifluoro-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol (PubChem CID 106399639) has the molecular formula C7H10F3N3O2 and a molecular weight of 225.17 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol
PubChem CID106399639
Molecular FormulaC7H10F3N3O2
Molecular Weight225.17 g/mol
Exact Mass225.07
IUPAC Name1,1,1-trifluoro-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol
SMILESOC(CNCCc1ncno1)C(F)(F)F
InChIInChI=1S/C7H10F3N3O2/c8-7(9,10)5(14)3-11-2-1-6-12-4-13-15-6/h4-5,11,14H,1-3H2
InChIKeyVQHYTFONFNGVBK-UHFFFAOYSA-N
XLogP0.12
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.17
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2,3,3-tetrafluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 103744046
2,2,2-trifluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 103744050
1-[2-(1,2,4-Oxadiazol-5-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 103744177
1,1-difluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine
CID 106394517
2-(1,2,4-oxadiazol-5-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 106399593
N-(2-fluoroethyl)-2-(1,2,4-oxadiazol-5-yl)ethanamine
CID 106399628
3-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine
CID 106399666
2,2,2-trifluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine
CID 106399702
4,4,4-trifluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-1-amine
CID 106399868
2,2-difluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine
CID 106399946
3,3,3-trifluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine
CID 106400034
3,3,3-trifluoro-N'-hydroxy-2-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]propanimidamide
CID 106400188

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol (CID 106399639) is 1,1,1-trifluoro-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol is OC(CNCCc1ncno1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol?
The InChIKey is VQHYTFONFNGVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3O2/c8-7(9,10)5(14)3-11-2-1-6-12-4-13-15-6/h4-5,11,14H,1-3H2.
What are the key properties of 1,1,1-trifluoro-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol?
1,1,1-trifluoro-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol has a molecular weight of 225.17 g/mol, XLogP of 0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol is sourced from PubChem (CID 106399639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).